Migration of O-vacancies in quartz: The effect of excitons and electron holes
Journal Article
·
· Physical Review. B, Condensed Matter, 64(134102):1-5
We have calculated migration pathways and estimated the activation energy for the diffusion of oxygen vacancies in quartz using density functional theory. While the energy barrier for the diffusion of a neutral vacancy is very high, 4.1 eV, the binding of a triplet state exciton to the vacancy lowers the barrier to 1.7 eV and the attachment of a hole lowers the barrier to 1.9 eV, making the vacancy mobile at commonly used annealing temperatures.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC06-76RL01830
- OSTI ID:
- 15001186
- Report Number(s):
- PNNL-SA-32493; 2392; KC0301020
- Journal Information:
- Physical Review. B, Condensed Matter, 64(134102):1-5, Journal Name: Physical Review. B, Condensed Matter, 64(134102):1-5 Journal Issue: 134102 Vol. 64
- Country of Publication:
- United States
- Language:
- English
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